6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole

C23H15F4N5O3S — CID 167680017

IUPAC6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
SMILESCOc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C23H15F4N5O3S/c1-35-23-16(8-12(24)9-30-23)36(33,34)10-11-2-5-15(25)17(18(11)26)13-3-4-14-20(19(13)27)31-32-21(14)22-28-6-7-29-22/h2-9H,10H2,1H3,(H,28,29)(H,31,32)
InChIKeyVJVSCGGLTRUSKL-UHFFFAOYSA-N
MW517.46 g/mol
LogP4.55
Rot. Bonds6

About 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole (PubChem CID 167680017) has the molecular formula C23H15F4N5O3S and a molecular weight of 517.46 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole.

Molecular Properties

Compound Name6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
PubChem CID167680017
Molecular FormulaC23H15F4N5O3S
Molecular Weight517.46 g/mol
Exact Mass517.08
IUPAC Name6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole
SMILESCOc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C23H15F4N5O3S/c1-35-23-16(8-12(24)9-30-23)36(33,34)10-11-2-5-15(25)17(18(11)26)13-3-4-14-20(19(13)27)31-32-21(14)22-28-6-7-29-22/h2-9H,10H2,1H3,(H,28,29)(H,31,32)
InChIKeyVJVSCGGLTRUSKL-UHFFFAOYSA-N
XLogP4.55
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole (CID 167680017) is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole.
What is the SMILES notation for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
The canonical SMILES for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole is COc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.
What is the InChIKey of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
The InChIKey is VJVSCGGLTRUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N5O3S/c1-35-23-16(8-12(24)9-30-23)36(33,34)10-11-2-5-15(25)17(18(11)26)13-3-4-14-20(19(13)27)31-32-21(14)22-28-6-7-29-22/h2-9H,10H2,1H3,(H,28,29)(H,31,32).
What are the key properties of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole?
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole has a molecular weight of 517.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-3-(1H-imidazol-2-yl)-2H-indazole is sourced from PubChem (CID 167680017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).